Geometry & MOs

Info

ID:

319297

PubChem CID:

126655552

Reduced:

FO5N6C28H29 (1)

Stoich.:

AB5C6D28E29 (1)

Weight, g/mol:

522.18271

ΔHf, kcal/mol:

-136.47

Dipole, Da:

3.41

IP(EA), eV:

 -8.6(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[4-fluoro-3-(3-hydroxypyrrolidin-1-yl)pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N5CC[C@H]([C@H](C5)OC)O

DOS

IR

Vibrations